3-(1H-Benzimidazol-2-Yl)-N-(2-Methyl-3-Furoyl)-D-Alanine

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Formula C16H15N3O4
IUPAC Name (2r)-3-(4h-benzimidazol-3-ium-4-id-2-yl)-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
Molecular Mass 313.308 g·mol−1
Heat of Formation -426.8 ± 16.7 kJ·mol−1
Dipole Moment 1.85 ± 1.08 D
Volume 365.46 Å 3
Surface Area 317.54 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
InChIKey IBXZTXVMQARJHH-CYBMUJFWSA-N
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